4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride

C17H26ClN3O — CID 120849423

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
SMILESCC(C)CN1CCN(Cc2cccc3c2NCC3)CC1=O.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-13(2)10-20-9-8-19(12-16(20)21)11-15-5-3-4-14-6-7-18-17(14)15;/h3-5,13,18H,6-12H2,1-2H3;1H
InChIKeyTWVUWEWAXLXUGF-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.38
Rot. Bonds4

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride

4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride (PubChem CID 120849423) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
PubChem CID120849423
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride
SMILESCC(C)CN1CCN(Cc2cccc3c2NCC3)CC1=O.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-13(2)10-20-9-8-19(12-16(20)21)11-15-5-3-4-14-6-7-18-17(14)15;/h3-5,13,18H,6-12H2,1-2H3;1H
InChIKeyTWVUWEWAXLXUGF-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120854907
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
3-cyclopropyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857366
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;hydrochloride
CID 120855200
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120849480
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride (CID 120849423) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride is CC(C)CN1CCN(Cc2cccc3c2NCC3)CC1=O.Cl.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride?
The InChIKey is TWVUWEWAXLXUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-13(2)10-20-9-8-19(12-16(20)21)11-15-5-3-4-14-6-7-18-17(14)15;/h3-5,13,18H,6-12H2,1-2H3;1H.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpropyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 120849423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).